Compound Identification
SMILES
CC(C)CN([C@@H](CCCCNC(=S)NC1CCC2=CC=CC=C12)C(O)=O)S(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=IKTFVNUVCLPUFA-BBMPLOMVSA-N
Formula
C27H37N3O4S2
Mass
531.73
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
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Level 5
Tosyl compounds
- Level 6 P-toluenesulfonamides
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Level 5
Tosyl compounds
-
Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Tosyl compounds - P-toluenesulfonamides
Direct Parent
N,N-disubstituted p-toluenesulfonamides
Alternative Parents
Benzenesulfonamides Alpha amino acids and derivatives Indanes Benzenesulfonyl compounds Medium-chain fatty acids Branched fatty acids Organosulfonamides Aminosulfonyl compounds Thioureas Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
N,n-disubstituted p-toluenesulfonamide - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Indane - Medium-chain fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Thiourea - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as n,n-disubstituted p-toluenesulfonamides. These are p-toluenesulfonamide derivatives in which the sulfonamide moiety is N,N-disubstituted.
External Descriptors
Not available